1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine

C13H20Br2N2S — CID 171305676

IUPAC1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C13H20Br2N2S/c1-3-9(2)12(17-6-4-16-5-7-17)11-8-10(14)13(15)18-11/h8-9,12,16H,3-7H2,1-2H3/t9?,12-/m0/s1
InChIKeyWPSANQBBXJFBBH-ACGXKRRESA-N
MW396.19 g/mol
LogP4.27
Rot. Bonds4

About 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine

1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine (PubChem CID 171305676) has the molecular formula C13H20Br2N2S and a molecular weight of 396.19 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
PubChem CID171305676
Molecular FormulaC13H20Br2N2S
Molecular Weight396.19 g/mol
Exact Mass393.97
IUPAC Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C13H20Br2N2S/c1-3-9(2)12(17-6-4-16-5-7-17)11-8-10(14)13(15)18-11/h8-9,12,16H,3-7H2,1-2H3/t9?,12-/m0/s1
InChIKeyWPSANQBBXJFBBH-ACGXKRRESA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304911
1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
CID 131430761
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
CID 102843442
1-[(1R)-2-methyl-1-(5-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171304419
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-methylbutyl]piperazine
CID 171305248
2,4,6-tribromo-3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304941
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171283711
(3S)-3-(4,5-dibromothiophen-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306422
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305297
1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine (CID 171305676) is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine is CCC(C)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine?
The InChIKey is WPSANQBBXJFBBH-ACGXKRRESA-N. The full InChI is InChI=1S/C13H20Br2N2S/c1-3-9(2)12(17-6-4-16-5-7-17)11-8-10(14)13(15)18-11/h8-9,12,16H,3-7H2,1-2H3/t9?,12-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine?
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine has a molecular weight of 396.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171305676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).